Research chemical
4-Chloro-3,5-dimethylphenol
CAS Number: 88-04-0
Product details
Identity & specification
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
2723
Exact Mass
156.034193
InChIKey
OSDLLIBGSJNGJE-UHFFFAOYSA-N
SMILES String
CC1=CC(=CC(=C1Cl)C)O
Physical Properties
Melting Point
112–116 °C
Boiling Point
246.0 °C
Density
0.89 g/cm³
pKa
9.7
Show more physical data
Vapor Pressure
Estimated value, unit not specified
XLogP
2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Rotatable bonds
0
Ring count
1
Aromatic rings
1
Topological polar surface area
20.23 Ų
Computed LogP
2.66
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
4-Chloro-3,5-dimethylphenol (CAS 88-04-0) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C8H9ClO and molecular weight 156. 61 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 2B (Homo sapiens) — 2 assays; Amine oxidase [flavin-containing] A (Homo sapiens) — 2 assays; Muscarinic acetylcholine receptor M1 (Homo sapiens) — 2 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 2 assays; Thromboxane A2 receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
5-hydroxytryptamine receptor 2B
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 5.93
Experimental evidence source: ChEMBL
Amine oxidase [flavin-containing] A
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 5.74
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor M1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5
Experimental evidence source: ChEMBL
Alpha-1A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.85
Experimental evidence source: ChEMBL
Thromboxane A2 receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.55
Experimental evidence source: ChEMBL
Safety & Handling
Handling & Storage
- Keep container tightly closed and dry.
- Store in a well-ventilated place.
- Avoid contact with skin and eyes.
PPE
First Aid
- Do not give anything to an unconscious person.
- Rinse mouth with water.
Stability / Reactivity
- Reactivity.
- Carbon monoxide, carbon dioxide, hydrogen chloride.
Disposal
- Dispose of remaining and non-recyclable solutions to a licensed company.
- Contact a professional agency with a waste disposal license to handle this substance.
Show additional safety reference fields
Fire Fighting
- If necessary, wear a self-contained breathing apparatus for firefighting.
Accidental Release
- Do not generate dust when collecting and disposing.
- Sweep and shovel up.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
Sourcing context and documentation notes
Show details
Procurement notes
Sourcing context and documentation notes
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
Package and specification
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Final lot confirmation
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supply documentation
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Quotation review
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Procurement questions
Is CAS 88-04-0 in stock?
4-Chloro-3,5-dimethylphenol is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.
How is the final price confirmed?
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Can MolGraph provide COA or SDS for CAS 88-04-0?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.